CAS RN: 4079-68-9
3-Diethylamino-1-propyne
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250401 | 5g / 25g / 100ml / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Guangdong | 5-7 business days | Inquiry |
- Product code: SSC-149136
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25ml, 10ml, 5ml, 100ml
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
4079-68-9 / N,N-diethylprop-2-yn-1-amine
Basic Information
CAS
4079-68-9
Multi CAS
Yes
Molecular Formula
C7H13N
Molecular Weight
111.180000
Exact Mass
111.104799
InChI
InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3
InChIKey
JZJXKEWVUBVOEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
36.62
TPSA
3.24
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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